ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate
TL;DR: ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate (CAS 763111-40-6) is a chemical compound with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: methyl {[5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, Methyl 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate, Methyl 2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate, 655-663-4
| Molecular Formula | C19H19N3O3S |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 3.51642 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.11472 |
| Heavy Atoms | 26 |
| Complexity | 889.39777 |
Chemical Identifiers
| CAS Number | 763111-40-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CC=C(C=C3)OC |
Product Overview
ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate (CAS 763111-40-6), with molecular formula C19H19N3O3S and molecular weight 369.11 g/mol. IUPAC: methyl 2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate
Property Insights of ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate
The XLogP value of 3.51642 indicates that ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate. Following Lipinski's Rule of Five, ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
The CAS number of ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate is 763111-40-6.
What is the molecular formula of ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
The molecular formula of ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate is C19H19N3O3S.
What is the molecular weight of ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
The molecular weight of ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate is 369.11 g/mol.
Where can I buy ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
You can request a quote for ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for ME((5-(4-Methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.